SCHEMBL5327288

SCHEMBL5327288

CN(C)c1cccc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.35
FYN P06241 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
HTR6 P50406 1/20 0.33
GRK5 P34947 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TP53 P04637 1/20 0.31
GFER P55789 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5331433 0.99 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL8222376 0.88 SMN1; SMN2 (0.35) SMN1; SMN2FYNPIK3CD
SCHEMBL14340786 0.84 ALDH1A1 (0.46) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5323440 0.84 CA12 (0.38) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5330842 0.84 ALDH1A1 (0.38) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5331736 0.84 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5328131 0.84 PTGS2 (0.38) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5324991 0.83 ALDH1A1 (0.44) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5326648 0.83 PTGS2 (0.37) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5331189 0.83 ALDH1A1 (0.37) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US claimed
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US disclosed
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US disclosed
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US disclosed
WO-2007148113-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070299113-A1 Metabotropic glutamate receptor modulators GRM1, GRM2, GRM3 SMN1; SMN2 852/4885KDM4E 1726/4885ALDH1A1 2824/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.